3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C21H22F3N3O5S — CID 24560634

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O5S/c1-15(28)26-9-11-27(12-10-26)33(30,31)18-7-4-6-16(13-18)20(29)25-14-17-5-2-3-8-19(17)32-21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,29)
InChIKeyMIHMETVBUXNDRJ-UHFFFAOYSA-N
MW485.48 g/mol
LogP2.37
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24560634) has the molecular formula C21H22F3N3O5S and a molecular weight of 485.48 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24560634
Molecular FormulaC21H22F3N3O5S
Molecular Weight485.48 g/mol
Exact Mass485.12
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O5S/c1-15(28)26-9-11-27(12-10-26)33(30,31)18-7-4-6-16(13-18)20(29)25-14-17-5-2-3-8-19(17)32-21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,29)
InChIKeyMIHMETVBUXNDRJ-UHFFFAOYSA-N
XLogP2.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 41368824
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
1-(4-acetylphenyl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 24556536
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
CID 19257278
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 24646559
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24560634) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is MIHMETVBUXNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O5S/c1-15(28)26-9-11-27(12-10-26)33(30,31)18-7-4-6-16(13-18)20(29)25-14-17-5-2-3-8-19(17)32-21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,29).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 485.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24560634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).